2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol

C16H25NO — CID 79828950

IUPAC2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
SMILESCC1(C)CCCCC1NCC(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-12-14(18)13-8-4-3-5-9-13/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3
InChIKeyGSSUHVJUEZSURF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds4

About 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol

2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol (PubChem CID 79828950) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
PubChem CID79828950
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
SMILESCC1(C)CCCCC1NCC(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-12-14(18)13-8-4-3-5-9-13/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3
InChIKeyGSSUHVJUEZSURF-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
CID 79870628
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79860860
2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79856738
3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
CID 79861761
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211
4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid
CID 103256634
1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81301234

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol (CID 79828950) is 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol is CC1(C)CCCCC1NCC(O)c1ccccc1.
What is the InChIKey of 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol?
The InChIKey is GSSUHVJUEZSURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-12-14(18)13-8-4-3-5-9-13/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol?
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol has a molecular weight of 247.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol is sourced from PubChem (CID 79828950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).